4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide

C17H23N5O2 — CID 54080981

IUPAC4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C17H23N5O2/c1-24-13-4-2-3-12-14(13)21-17(22-15(12)18)20-9-10-5-7-11(8-6-10)16(19)23/h2-4,10-11H,5-9H2,1H3,(H2,19,23)(H3,18,20,21,22)
InChIKeyMNCDDACIZPKVJG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.92
Rot. Bonds5

About 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide

4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide (PubChem CID 54080981) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
PubChem CID54080981
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C17H23N5O2/c1-24-13-4-2-3-12-14(13)21-17(22-15(12)18)20-9-10-5-7-11(8-6-10)16(19)23/h2-4,10-11H,5-9H2,1H3,(H2,19,23)(H3,18,20,21,22)
InChIKeyMNCDDACIZPKVJG-UHFFFAOYSA-N
XLogP1.92
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-methoxy-4-methylquinazolin-2-yl)guanidine
CID 2849221
2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 16192822
N-(4-fluoro-2-methylphenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 21476448
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-phenyl-5,6-dihydropyrimidin-4(3H)-one
CID 2880309
N4-benzyl-N2-(2-methoxyphenyl)quinazoline-2,4-diamine
CID 1415819
N~2~-(2-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine
CID 2929218
8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
8-Methoxy-N*2*-methyl-N*2*-phenyl-N*4*-o-tolyl-quinazoline-2,4-diamine
CID 10022071
4-(N-Methylphenylamino)-2-(2-methylphenylamino)-8-methoxyquinazoline
CID 10067754
N*2*-(4-Fluoro-2-methyl-phenyl)-8-methoxy-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10068853
8-(3-Dimethylamino-propoxy)-N*2*-(4-fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10072913
8-Methoxy-2,4-bis(2-methylphenylamino)quinazoline
CID 10248595

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide (CID 54080981) is 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide is COc1cccc2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12.
What is the InChIKey of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is MNCDDACIZPKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-13-4-2-3-12-14(13)21-17(22-15(12)18)20-9-10-5-7-11(8-6-10)16(19)23/h2-4,10-11H,5-9H2,1H3,(H2,19,23)(H3,18,20,21,22).
What are the key properties of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 54080981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).