N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide

C19H15N5O — CID 22122640

IUPACN-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C19H15N5O/c1-2-18(25)23-14-4-6-17-15(10-14)19(22-11-21-17)24-13-3-5-16-12(9-13)7-8-20-16/h2-11,20H,1H2,(H,23,25)(H,21,22,24)
InChIKeyZEPDLDKXAUOXBS-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide

N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide (PubChem CID 22122640) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide
PubChem CID22122640
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C19H15N5O/c1-2-18(25)23-14-4-6-17-15(10-14)19(22-11-21-17)24-13-3-5-16-12(9-13)7-8-20-16/h2-11,20H,1H2,(H,23,25)(H,21,22,24)
InChIKeyZEPDLDKXAUOXBS-UHFFFAOYSA-N
XLogP3.98
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide?
The IUPAC name of N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide (CID 22122640) is N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide?
The canonical SMILES for N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide is C=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1.
What is the InChIKey of N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide?
The InChIKey is ZEPDLDKXAUOXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-2-18(25)23-14-4-6-17-15(10-14)19(22-11-21-17)24-13-3-5-16-12(9-13)7-8-20-16/h2-11,20H,1H2,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide?
N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-enamide is sourced from PubChem (CID 22122640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).