cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline

C48H57Cl2N7O4 — CID 158200899

IUPACcyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
SMILESCOc1cc2c(Cl)nc(Cl)nc2cc1OCc1ccccc1.COc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCc1ccccc1.NC1CCCCC1
InChIInChI=1S/C26H32N4O2.C16H12Cl2N2O2.C6H13N/c1-31-23-16-21-22(17-24(23)32-18-19-10-4-2-5-11-19)28-26(30-14-8-9-15-30)29-25(21)27-20-12-6-3-7-13-20;1-21-13-7-11-12(19-16(18)20-15(11)17)8-14(13)22-9-10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2,4-5,10-11,16-17,20H,3,6-9,12-15,18H2,1H3,(H,27,28,29);2-8H,9H2,1H3;6H,1-5,7H2
InChIKeyGAXOPZARAQYOMA-UHFFFAOYSA-N
MW866.94 g/mol
LogP11.36
Rot. Bonds11

About cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline

cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline (PubChem CID 158200899) has the molecular formula C48H57Cl2N7O4 and a molecular weight of 866.94 g/mol. Its IUPAC name is cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline.

Molecular Properties

Compound Namecyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
PubChem CID158200899
Molecular FormulaC48H57Cl2N7O4
Molecular Weight866.94 g/mol
Exact Mass865.38
IUPAC Namecyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
SMILESCOc1cc2c(Cl)nc(Cl)nc2cc1OCc1ccccc1.COc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCc1ccccc1.NC1CCCCC1
InChIInChI=1S/C26H32N4O2.C16H12Cl2N2O2.C6H13N/c1-31-23-16-21-22(17-24(23)32-18-19-10-4-2-5-11-19)28-26(30-14-8-9-15-30)29-25(21)27-20-12-6-3-7-13-20;1-21-13-7-11-12(19-16(18)20-15(11)17)8-14(13)22-9-10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2,4-5,10-11,16-17,20H,3,6-9,12-15,18H2,1H3,(H,27,28,29);2-8H,9H2,1H3;6H,1-5,7H2
InChIKeyGAXOPZARAQYOMA-UHFFFAOYSA-N
XLogP11.36
TPSA129.77 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500866.94
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline with MolForge

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Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
CID 71738605
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 44561029
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
2-(4-benzyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 53315859
6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
CID 121475430
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
2-(azepan-1-yl)-4-(1-benzylpiperidin-4-yl)oxy-6,7-dimethoxyquinazoline
CID 71737955
4-[(1-benzylpiperidin-4-yl)amino]-6-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol
CID 137028680
N-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 53315872
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 139592905
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline?
The IUPAC name of cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline (CID 158200899) is cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline.
What is the SMILES notation for cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline?
The canonical SMILES for cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline is COc1cc2c(Cl)nc(Cl)nc2cc1OCc1ccccc1.COc1cc2c(NC3CCCCC3)nc(N3CCCC3)nc2cc1OCc1ccccc1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline?
The InChIKey is GAXOPZARAQYOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.C16H12Cl2N2O2.C6H13N/c1-31-23-16-21-22(17-24(23)32-18-19-10-4-2-5-11-19)28-26(30-14-8-9-15-30)29-25(21)27-20-12-6-3-7-13-20;1-21-13-7-11-12(19-16(18)20-15(11)17)8-14(13)22-9-10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2,4-5,10-11,16-17,20H,3,6-9,12-15,18H2,1H3,(H,27,28,29);2-8H,9H2,1H3;6H,1-5,7H2.
What are the key properties of cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline?
cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline has a molecular weight of 866.94 g/mol, XLogP of 11.36, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline is sourced from PubChem (CID 158200899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).