4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide

C19H21N5O2 — CID 66763260

IUPAC4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
SMILESCOCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1
InChIInChI=1S/C19H21N5O2/c1-26-9-8-16(12-4-2-5-13(20)10-12)24-19-15-7-3-6-14(18(21)25)17(15)22-11-23-19/h2-7,10-11,16H,8-9,20H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyDAJCKHCRJIXKHC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.50
Rot. Bonds7

About 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide

4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide (PubChem CID 66763260) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
PubChem CID66763260
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
SMILESCOCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1
InChIInChI=1S/C19H21N5O2/c1-26-9-8-16(12-4-2-5-13(20)10-12)24-19-15-7-3-6-14(18(21)25)17(15)22-11-23-19/h2-7,10-11,16H,8-9,20H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyDAJCKHCRJIXKHC-UHFFFAOYSA-N
XLogP2.50
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[1-[3-[(2,3-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763379
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
4-[[1-[3-[(2,4-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46868957
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[[1-(3-aminophenyl)-2-(dimethylamino)ethyl]amino]quinazoline-8-carboxylic acid
CID 140638645
4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide
CID 66763084
[3-[(8-carbamoylquinazolin-4-yl)amino]-3-(3-nitrophenyl)propyl]carbamic acid
CID 68756154
4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763206
4-[[3-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66764028
4-[[3-(but-3-enylamino)-1-[3-[(4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66763853
4-[[2-(azetidin-1-yl)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67632841
4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 158319188

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide (CID 66763260) is 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide is COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1.
What is the InChIKey of 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
The InChIKey is DAJCKHCRJIXKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-9-8-16(12-4-2-5-13(20)10-12)24-19-15-7-3-6-14(18(21)25)17(15)22-11-23-19/h2-7,10-11,16H,8-9,20H2,1H3,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide?
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).