(2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide

C19H19ClFN5O2 — CID 11516978

IUPAC(2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O
InChIInChI=1S/C19H19ClFN5O2/c1-10(18(22)27)23-8-11-6-12-15(7-16(11)28-2)24-9-25-19(12)26-14-5-3-4-13(20)17(14)21/h3-7,9-10,23H,8H2,1-2H3,(H2,22,27)(H,24,25,26)/t10-/m1/s1
InChIKeyKXECKMQQRGBPLK-SNVBAGLBSA-N
MW403.85 g/mol
LogP3.14
Rot. Bonds7

About (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide

(2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide (PubChem CID 11516978) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide
PubChem CID11516978
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name(2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O
InChIInChI=1S/C19H19ClFN5O2/c1-10(18(22)27)23-8-11-6-12-15(7-16(11)28-2)24-9-25-19(12)26-14-5-3-4-13(20)17(14)21/h3-7,9-10,23H,8H2,1-2H3,(H2,22,27)(H,24,25,26)/t10-/m1/s1
InChIKeyKXECKMQQRGBPLK-SNVBAGLBSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide?
The IUPAC name of (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide (CID 11516978) is (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide.
What is the SMILES notation for (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide?
The canonical SMILES for (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide is COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide?
The InChIKey is KXECKMQQRGBPLK-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-10(18(22)27)23-8-11-6-12-15(7-16(11)28-2)24-9-25-19(12)26-14-5-3-4-13(20)17(14)21/h3-7,9-10,23H,8H2,1-2H3,(H2,22,27)(H,24,25,26)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide?
(2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]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 (2R)-2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]propanamide is sourced from PubChem (CID 11516978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).