tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate

C25H30ClN5O3 — CID 164734339

IUPACtert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate
SMILESCOc1nccc(-c2ccc3nc(N[C@@H]4CC[C@H](NC(=O)OC(C)(C)C)C4)nc(C)c3c2)c1Cl
InChIInChI=1S/C25H30ClN5O3/c1-14-19-12-15(18-10-11-27-22(33-5)21(18)26)6-9-20(19)31-23(28-14)29-16-7-8-17(13-16)30-24(32)34-25(2,3)4/h6,9-12,16-17H,7-8,13H2,1-5H3,(H,30,32)(H,28,29,31)/t16-,17+/m1/s1
InChIKeyWYLWASQYVUWKFE-SJORKVTESA-N
MW484.00 g/mol
LogP5.52
Rot. Bonds5

About tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate

tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate (PubChem CID 164734339) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate
PubChem CID164734339
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Nametert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate
SMILESCOc1nccc(-c2ccc3nc(N[C@@H]4CC[C@H](NC(=O)OC(C)(C)C)C4)nc(C)c3c2)c1Cl
InChIInChI=1S/C25H30ClN5O3/c1-14-19-12-15(18-10-11-27-22(33-5)21(18)26)6-9-20(19)31-23(28-14)29-16-7-8-17(13-16)30-24(32)34-25(2,3)4/h6,9-12,16-17H,7-8,13H2,1-5H3,(H,30,32)(H,28,29,31)/t16-,17+/m1/s1
InChIKeyWYLWASQYVUWKFE-SJORKVTESA-N
XLogP5.52
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylimidazol-2-yl)methyl N-[(1S,3R)-3-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate
CID 164734346
[(3S)-1-methylpyrrolidin-3-yl] N-[(1S,3R)-3-[[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate
CID 164734359
tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
CID 86608909
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-[4-[(4-methylquinazolin-2-yl)amino]cyclohexyl]carbamate;cyclohexane-1,4-diamine;methane;4-N-(4-methylquinazolin-2-yl)cyclohexane-1,4-diamine;uranium;vanadium
CID 159806556
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[(1S,3R)-3-(7-chloro-2,6-naphthyridin-1-yl)cyclopentyl]carbamate
CID 178017165
tert-butyl N-[3-[[5-chloro-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 123379908
cis-(1S,3R)-3-N-[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-4-methylquinazolin-2-yl]cyclopentane-1,3-diamine
CID 164734319
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
tert-butyl N-[(1S,3S)-3-[(5-iodopyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 171767267
tert-butyl N-[3-(4-chloro-2,5-dimethoxyanilino)cyclopentyl]carbamate
CID 113247793
tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate
CID 170602428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate (CID 164734339) is tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate is COc1nccc(-c2ccc3nc(N[C@@H]4CC[C@H](NC(=O)OC(C)(C)C)C4)nc(C)c3c2)c1Cl.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate?
The InChIKey is WYLWASQYVUWKFE-SJORKVTESA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-14-19-12-15(18-10-11-27-22(33-5)21(18)26)6-9-20(19)31-23(28-14)29-16-7-8-17(13-16)30-24(32)34-25(2,3)4/h6,9-12,16-17H,7-8,13H2,1-5H3,(H,30,32)(H,28,29,31)/t16-,17+/m1/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate has a molecular weight of 484.00 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-[[6-(3-chloro-2-methoxy-4-pyridinyl)-4-methylquinazolin-2-yl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 164734339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).