3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide

C19H19ClFN5O2 — CID 69048732

IUPAC3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CNC(=O)CCN
InChIInChI=1S/C19H19ClFN5O2/c1-28-16-8-15-12(7-11(16)9-23-17(27)5-6-22)19(25-10-24-15)26-14-4-2-3-13(20)18(14)21/h2-4,7-8,10H,5-6,9,22H2,1H3,(H,23,27)(H,24,25,26)
InChIKeySGEVBNHVSFXGHF-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.14
Rot. Bonds7

About 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide

3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide (PubChem CID 69048732) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide
PubChem CID69048732
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CNC(=O)CCN
InChIInChI=1S/C19H19ClFN5O2/c1-28-16-8-15-12(7-11(16)9-23-17(27)5-6-22)19(25-10-24-15)26-14-4-2-3-13(20)18(14)21/h2-4,7-8,10H,5-6,9,22H2,1H3,(H,23,27)(H,24,25,26)
InChIKeySGEVBNHVSFXGHF-UHFFFAOYSA-N
XLogP3.14
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide with MolForge

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Related Compounds

2-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]acetamide
CID 69047706
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(methylaminomethyl)quinazolin-4-amine
CID 141120249
(2S)-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]-2-(propan-2-ylamino)propanamide
CID 69046767
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(propan-2-ylamino)methyl]quinazolin-4-amine
CID 69047474
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]cyclopent-3-ene-1-carboxamide
CID 11597705
3-[1-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]propan-2-ylamino]azetidine-3-carboxamide
CID 69283793
(2R)-1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]-4-hydroperoxypyrrolidine-2-carboxamide
CID 87879047
tert-butyl 3-carbamoyl-4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]piperazine-1-carboxylate
CID 69323886
4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 142692093
1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]piperazine-2-carboxamide
CID 59807423
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 70870422

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide (CID 69048732) is 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide is COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide?
The InChIKey is SGEVBNHVSFXGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-28-16-8-15-12(7-11(16)9-23-17(27)5-6-22)19(25-10-24-15)26-14-4-2-3-13(20)18(14)21/h2-4,7-8,10H,5-6,9,22H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide?
3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide has a molecular weight of 403.85 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide is sourced from PubChem (CID 69048732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).