N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide

C23H25ClFN5O3 — CID 70683719

IUPACN-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide
SMILESCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C23H25ClFN5O3/c1-2-33-21-13-19-16(12-20(21)29-22(31)5-6-30-7-9-32-10-8-30)23(27-14-26-19)28-15-3-4-18(25)17(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyWHNBMDXDKOQHCS-UHFFFAOYSA-N
MW473.94 g/mol
LogP4.23
Rot. Bonds8

About N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide

N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide (PubChem CID 70683719) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide
PubChem CID70683719
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.94 g/mol
Exact Mass473.16
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide
SMILESCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C23H25ClFN5O3/c1-2-33-21-13-19-16(12-20(21)29-22(31)5-6-30-7-9-32-10-8-30)23(27-14-26-19)28-15-3-4-18(25)17(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyWHNBMDXDKOQHCS-UHFFFAOYSA-N
XLogP4.23
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide (CID 70683719) is N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide is CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1.
What is the InChIKey of N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide?
The InChIKey is WHNBMDXDKOQHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c1-2-33-21-13-19-16(12-20(21)29-22(31)5-6-30-7-9-32-10-8-30)23(27-14-26-19)28-15-3-4-18(25)17(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,29,31)(H,26,27,28).
What are the key properties of N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide?
N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 473.94 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 70683719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).