1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone

C22H31N5O3 — CID 71738547

IUPAC1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1cc2nc(N3CCCCC3)nc(NC3CCN(C(C)=O)CC3)c2cc1OC
InChIInChI=1S/C22H31N5O3/c1-15(28)26-11-7-16(8-12-26)23-21-17-13-19(29-2)20(30-3)14-18(17)24-22(25-21)27-9-5-4-6-10-27/h13-14,16H,4-12H2,1-3H3,(H,23,24,25)
InChIKeyACAVUKBMQKYAPW-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone

1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 71738547) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID71738547
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1cc2nc(N3CCCCC3)nc(NC3CCN(C(C)=O)CC3)c2cc1OC
InChIInChI=1S/C22H31N5O3/c1-15(28)26-11-7-16(8-12-26)23-21-17-13-19(29-2)20(30-3)14-18(17)24-22(25-21)27-9-5-4-6-10-27/h13-14,16H,4-12H2,1-3H3,(H,23,24,25)
InChIKeyACAVUKBMQKYAPW-UHFFFAOYSA-N
XLogP3.06
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

ethyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-yl]amino]piperidine-1-carboxylate
CID 44561028
2-[4-[(7-iodo-6-methoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanol
CID 162761789
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 139592905
6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)quinazolin-4-amine
CID 44604814
N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164628599
tert-butyl (3R)-3-[(6-methoxy-7-prop-2-ynoxy-2-pyrrolidin-1-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 137390224
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
N-cyclohexyl-7-[4-(dimethylamino)but-1-ynyl]-6-methoxy-2-piperidin-1-ylquinazolin-4-amine
CID 162761751
2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164616588
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
6-methoxy-2-(4-propan-2-yl-1,4-diazepan-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 53315861

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone (CID 71738547) is 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone is COc1cc2nc(N3CCCCC3)nc(NC3CCN(C(C)=O)CC3)c2cc1OC.
What is the InChIKey of 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is ACAVUKBMQKYAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-15(28)26-11-7-16(8-12-26)23-21-17-13-19(29-2)20(30-3)14-18(17)24-22(25-21)27-9-5-4-6-10-27/h13-14,16H,4-12H2,1-3H3,(H,23,24,25).
What are the key properties of 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 413.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 71738547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).