nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate

C26H34ClN3O5 — CID 58738985

IUPACnonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate
SMILESCCCCC(CCCC)OC(=O)Nc1ccc(OC2N=CNc3cc(OC)c(OC)cc32)cc1Cl
InChIInChI=1S/C26H34ClN3O5/c1-5-7-9-17(10-8-6-2)35-26(31)30-21-12-11-18(13-20(21)27)34-25-19-14-23(32-3)24(33-4)15-22(19)28-16-29-25/h11-17,25H,5-10H2,1-4H3,(H,28,29)(H,30,31)
InChIKeySWRUICYJVMBJEU-UHFFFAOYSA-N
MW504.03 g/mol
LogP7.19
Rot. Bonds12

About nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate

nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate (PubChem CID 58738985) has the molecular formula C26H34ClN3O5 and a molecular weight of 504.03 g/mol. Its IUPAC name is nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate.

Molecular Properties

Compound Namenonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate
PubChem CID58738985
Molecular FormulaC26H34ClN3O5
Molecular Weight504.03 g/mol
Exact Mass503.22
IUPAC Namenonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate
SMILESCCCCC(CCCC)OC(=O)Nc1ccc(OC2N=CNc3cc(OC)c(OC)cc32)cc1Cl
InChIInChI=1S/C26H34ClN3O5/c1-5-7-9-17(10-8-6-2)35-26(31)30-21-12-11-18(13-20(21)27)34-25-19-14-23(32-3)24(33-4)15-22(19)28-16-29-25/h11-17,25H,5-10H2,1-4H3,(H,28,29)(H,30,31)
InChIKeySWRUICYJVMBJEU-UHFFFAOYSA-N
XLogP7.19
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.03
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate;nonan-5-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;nonan-5-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;nonan-5-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;3-phenylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;prop-2-enyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate;prop-2-enyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;prop-2-enyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
CID 160980441
1-[2-chloro-4-[(7,8-dimethoxy-4,5-dihydro-1H-pyrido[3,2-d][1,3]diazepin-4-yl)oxy]phenyl]-3-[5-chloro-2-(4-propan-2-ylpiperazin-1-yl)phenyl]urea
CID 123607682
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
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CID 26115429
N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 86860358
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
methyl 4-(2-chloro-4-methoxyanilino)butanoate
CID 115233297
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide
CID 100726850
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate?
The IUPAC name of nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate (CID 58738985) is nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate.
What is the SMILES notation for nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate?
The canonical SMILES for nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate is CCCCC(CCCC)OC(=O)Nc1ccc(OC2N=CNc3cc(OC)c(OC)cc32)cc1Cl.
What is the InChIKey of nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate?
The InChIKey is SWRUICYJVMBJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O5/c1-5-7-9-17(10-8-6-2)35-26(31)30-21-12-11-18(13-20(21)27)34-25-19-14-23(32-3)24(33-4)15-22(19)28-16-29-25/h11-17,25H,5-10H2,1-4H3,(H,28,29)(H,30,31).
What are the key properties of nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate?
nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate has a molecular weight of 504.03 g/mol, XLogP of 7.19, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-5-yl N-[2-chloro-4-[(6,7-dimethoxy-1,4-dihydroquinazolin-4-yl)oxy]phenyl]carbamate is sourced from PubChem (CID 58738985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).